Chem
J-GLOBAL ID：201507028521362412   Nikkaji number：J3.372.390C

6-O-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl)-D-glucopyranose

6-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシル)-D-グルコピラノース
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H38O15
Molecular formula furigana： C40-H38-O15
Molecular weight： 758.729
InChI： InChI=1S/C40H38O15/c41-29-27(51-39(48)31(43)30(29)42)21-50-40-34(55-38(47)26-19-11-4-12-20-26)33(54-37(46)25-17-9-3-10-18-25)32(53-36(45)24-15-7-2-8-16-24)28(52-40)22-49-35(44)23-13-5-1-6-14-23/h1-20,27-34,39-43,48H,21-22H2/t27-,28-,29-,30+,31-,32-,33+,34-,39?,40-/m1/s1
InChI key： RHVMCRXUJZVSLG-CJMMNYOGSA-N
SMILES： OC1O[C@H](CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 6-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシル)-D-グルコピラノース
  • [(2R,3R,4S,5R,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2R,3S,4S,5R)-3,4,5,6-テトラヒドロキシオキサン-2-イル]メトキシ}オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 6-O-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-glucopyranosyl)-D-glucopyranose
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